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Graphene was recently proposed as a material for heat removal owing to its extremely high thermal conductivity. We simulated heat propagation in silicon-on-insulator circuits with and without graphene lateral heat spreaders. Numerical…

Materials Science · Physics 2010-02-06 Samia Subrina , Dmitri Kotchetkov , Alexander A. Balandin

In this work, electrically and thermally conductive poly (butylene terephthalate) nanocomposites were prepared by in-situ ring-opening polymerization of cyclic butylene terephthalate (CBT) in presence of a tin-based catalyst. One type of…

Materials Science · Physics 2016-10-28 S. Colonna , O. Monticelli , J. Gomez , C. Novara , G. Saracco , A. Fina

We investigate thermal rectification in nanoporous silicon using a semi-classical Monte Carlo (MC) simulation method. We consider geometrically asymmetric nanoporous structures, and investigate the combined effects of porosity, inter-pore…

Materials Science · Physics 2019-11-18 Dhritiman Chakraborty , Joshua Brooke , Nick C S Hulse , Neophytos Neophytou

Contrary to most materials, graphene exhibits a negative thermal expansion coefficient (TEC), i.e it contracts when heated. This contraction is due to the thermal excitation of low energy out-of-plane vibration modes. These flexural modes…

Systems in which the heat flux depends on the direction of the flow are said to present thermal rectification. This effect has attracted much theoretical and experimental interest in recent years. However, in most theoretical models the…

Statistical Mechanics · Physics 2015-12-14 Pedro H. Guimarães , Gabriel T. Landi , Mário J. de Oliveira

We use non-equilibrium molecular dynamics simulations to study the adverse role of defects including isotopic impurities on the thermal conductivity of carbon nanotubes, graphene and graphene nanoribbons. We find that even in structurally…

Materials Science · Physics 2015-06-11 Zacharias G. Fthenakis , David Tománek

With use of simulated friction force microscopy, we study the effect of varying temperature on the frictional properties of suspended graphene. In contrast with the theory of thermally activated friction on the surfaces of three-dimensional…

Mesoscale and Nanoscale Physics · Physics 2015-03-18 A. Smolyanitsky

We examine the aggregation behavior of AuNPs of different sizes on graphene as function of temperature using molecular dynamic simulations with Reax Force Field (ReaxFF). In addition, the consequences of such aggregation on the morphology…

Applied Physics · Physics 2023-08-29 J. Hingies Monisha , V. Vasumathi , Prabal K Maiti

The anharmonicity of the acoustic phonon dispersion of graphene has been studied by the harmonic linear response (HLR) approach at finite temperature. This is a non-perturbative method based on the linear response of the system to applied…

Materials Science · Physics 2020-08-20 R. Ramirez , C. P. Herrero

Heat flow in nanomaterials is an important area of study, with both fundamental and technological implications. However, little is known about heat flow in two-dimensional (2D) devices or interconnects with dimensions comparable to the…

Mesoscale and Nanoscale Physics · Physics 2013-04-18 Myung-Ho Bae , Zuanyi Li , Zlatan Aksamija , Pierre N. Martin , Feng Xiong , Zhun-Yong Ong , Irena Knezevic , Eric Pop

The model of thermal rectifier based on the asymmetry of interaction of the molecular chain ends with thermostats is proposed in this work. The rectification mechanism is not related to the chain asymmetry, but to the asymmetry of the…

Mesoscale and Nanoscale Physics · Physics 2019-12-25 Alexander V. Savin

Using atomistic simulations we determine the roughness and the thermal properties of a suspended graphane sheet. As compared to graphene we found that hydrogenated graphene has: 1) a larger thermal contraction, 2) the roughness exponent at…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 M. Neek-Amal , F. M. Peeters

In this letter, we have demonstrated the possibility to efficiently relay the radiative heat flux between two nanoparticles by opening a smooth channel for heat transfer. By coating the nanoparticles with a silica shell and modifying the…

Mesoscale and Nanoscale Physics · Physics 2019-12-30 Mingjian He , Hong Qi , Yatao Ren , Yijun Zhao , Mauro Antezza

We analyze the thermal fluctuations of a narrow graphene nanoribbon. Using a continuum, membrane-like model we study the height-height correlation functions and the destabilization modes corresponding to two different boundaries conditions:…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 P. Scuracchio , A. Dobry

We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the…

Materials Science · Physics 2013-08-08 Luiz Felipe C. Pereira , Davide Donadio

Active control of heat flow is of both fundamental and applied interest in thermal management and energy conversion. Here, we present a fluctuational electrodynamic study of thermal radiation between twisted bilayer graphene (TBLG),…

Mesoscale and Nanoscale Physics · Physics 2021-06-16 Fuwei Yang , Bai Song

Thermal diode, a type of device that allows heat to flow in one direction preferentially, can be employed in many thermal applications. However, if the mechanical compliance of the thermal diode is poor, which prevents its intimate contact…

We developed a combined atomistic-continuum hierarchical multiscale approach to explore the effective thermal conductivity of graphene laminates. To this aim, we first performed molecular dynamics simulations in order to study the heat…

Materials Science · Physics 2017-04-07 B Mortazavi , T Rabczuk

In this study, we investigate the thermal rectification and thermal resistance in the hybrid pillared-graphene and graphene (PGG) system. This is done through the classical molecular dynamics simulation (MD) and also with a continuum model.…

Materials Science · Physics 2020-05-06 Farrokh Yousefi , Farhad Khoeini , Ali Rajabpour

The long spin-diffusion length, spin-lifetimes and excellent optical absorption coefficient of graphene provide an excellent platform for building opto-electronic devices as well as spin-based logic in a nanometer regime. In this study, by…